HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=501",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=499",
"results": [
{
"id": "jvasp-14560",
"created_at": "2022-09-04T14:35:48.497103Z",
"updated_at": "2022-09-04T14:35:48.497138Z",
"structure_string": "Yb1 In1\n1.0\n3.778575 -0.000000 -0.000000\n-0.000000 3.778575 0.000000\n0.000000 -0.000000 3.778575\nYb In\n1 1\ndirect\n0.499999 0.499999 0.499999 Yb\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"In"
],
"chemical_system": "In-Yb",
"density": 8.860194600120256,
"density_atomic": 0.03707198623026301,
"volume": 53.94909211439386,
"volume_molar": 16.244451329354295,
"formula_full": "Yb1 In1",
"formula_reduced": "YbIn",
"formula_anonymous": "AB",
"energy_above_hull": 0.0201579999999999,
"spacegroup": 221
},
{
"id": "jvasp-100832",
"created_at": "2022-09-04T14:36:35.771230Z",
"updated_at": "2022-09-04T14:36:35.771263Z",
"structure_string": "Hg2 Te1 Se1\n1.0\n4.044485 0.009094 6.130060\n1.846798 3.598232 6.130060\n0.014852 0.009094 7.344064\nHg Te Se\n2 1 1\ndirect\n0.245117 0.245116 0.245117 Hg\n0.754884 0.754881 0.754885 Hg\n0.000000 0.000000 0.000000 Te\n0.500000 0.499999 0.500001 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"Te",
"Se"
],
"chemical_system": "Hg-Se-Te",
"density": 9.493167932444292,
"density_atomic": 0.03762740222282828,
"volume": 106.3055051292706,
"volume_molar": 16.004667886284242,
"formula_full": "Hg2 Te1 Se1",
"formula_reduced": "Hg2TeSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0201925,
"spacegroup": 166
},
{
"id": "jvasp-43427",
"created_at": "2022-09-04T14:35:49.206443Z",
"updated_at": "2022-09-04T14:35:49.206468Z",
"structure_string": "K4 O2\n1.0\n0.000000 4.270734 0.246018\n8.165876 0.000000 0.000000\n0.000000 -1.912676 -3.831135\nK O\n4 2\ndirect\n0.000264 0.875848 0.998722 K\n0.333531 0.622525 0.665782 K\n0.666466 0.122524 0.334217 K\n-0.000266 0.375848 0.001276 K\n0.333087 0.251628 0.667772 O\n0.666911 0.751629 0.332226 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.4107485924576464,
"density_atomic": 0.04623720975127039,
"volume": 129.76561588116047,
"volume_molar": 13.024446744073998,
"formula_full": "K4 O2",
"formula_reduced": "K2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0202066666666667,
"spacegroup": 186
},
{
"id": "jvasp-52285",
"created_at": "2022-09-04T14:37:03.779539Z",
"updated_at": "2022-09-04T14:37:03.779564Z",
"structure_string": "Li1 Ag2 F6\n1.0\n2.702201 4.680116 0.008290\n-2.702201 4.680116 0.008290\n0.000000 -0.008158 4.778822\nLi Ag F\n1 2 6\ndirect\n-0.000040 0.000040 -0.000000 Li\n0.666655 0.666684 0.742718 Ag\n0.333317 0.333346 0.257281 Ag\n0.000007 0.658172 -0.000013 F\n-0.000026 0.349379 0.499984 F\n0.349381 0.650620 0.500000 F\n0.658159 0.341842 0.000000 F\n0.341829 -0.000006 0.000013 F\n0.650621 0.000026 0.500015 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.625133493514189,
"density_atomic": 0.0744588078147465,
"volume": 120.87220120945261,
"volume_molar": 8.087882329492954,
"formula_full": "Li1 Ag2 F6",
"formula_reduced": "LiAg2F6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.020231388888889,
"spacegroup": 150
},
{
"id": "jvasp-114550",
"created_at": "2022-09-04T14:38:41.841757Z",
"updated_at": "2022-09-04T14:38:41.841784Z",
"structure_string": "Ba1 Zn1 Cl2\n1.0\n4.317101 0.000000 -0.000000\n-0.000000 4.317101 -0.000000\n0.000000 -0.000000 6.205867\nBa Zn Cl\n1 1 2\ndirect\n0.500000 0.500000 0.580542 Ba\n0.000000 0.000000 0.945238 Zn\n0.000000 0.000000 0.401469 Cl\n0.500000 0.500000 0.082750 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Cl"
],
"chemical_system": "Ba-Cl-Zn",
"density": 3.9286647584478933,
"density_atomic": 0.03458383169601253,
"volume": 115.66098387129252,
"volume_molar": 17.41316813282533,
"formula_full": "Ba1 Zn1 Cl2",
"formula_reduced": "BaZnCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0202749999999999,
"spacegroup": 99
},
{
"id": "jvasp-19759",
"created_at": "2022-09-04T14:38:30.531715Z",
"updated_at": "2022-09-04T14:38:30.531747Z",
"structure_string": "Tb1 Se1\n1.0\n3.536372 -0.000000 2.041726\n1.178791 3.334124 2.041726\n-0.000000 -0.000000 4.083451\nTb Se\n1 1\ndirect\n0.500000 0.499999 0.500001 Tb\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Se"
],
"chemical_system": "Se-Tb",
"density": 8.204455334473197,
"density_atomic": 0.04153966177438413,
"volume": 48.146756968380544,
"volume_molar": 14.497327380054925,
"formula_full": "Tb1 Se1",
"formula_reduced": "TbSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0203708833333333,
"spacegroup": 225
},
{
"id": "jvasp-99751",
"created_at": "2022-09-04T14:36:08.513428Z",
"updated_at": "2022-09-04T14:36:08.513455Z",
"structure_string": "Ba3 Li1\n1.0\n5.259262 0.022620 -5.390570\n-0.855278 5.189302 -5.390570\n-0.019113 -0.022620 7.531116\nBa Li\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Li"
],
"chemical_system": "Ba-Li",
"density": 3.4032047418374125,
"density_atomic": 0.019568872484640912,
"volume": 204.40625810912172,
"volume_molar": 30.774081463950562,
"formula_full": "Ba3 Li1",
"formula_reduced": "Ba3Li",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0203844775,
"spacegroup": 139
},
{
"id": "jvasp-25100",
"created_at": "2022-09-04T14:37:44.986700Z",
"updated_at": "2022-09-04T14:37:44.986732Z",
"structure_string": "Ge4\n1.0\n4.053281 0.000000 -0.000000\n-2.026640 3.510152 -0.000000\n0.000000 -0.000000 6.698754\nGe\n4\ndirect\n0.666669 0.333338 0.500491 Ge\n0.333330 0.666661 0.000492 Ge\n0.666669 0.333338 0.874508 Ge\n0.333330 0.666661 0.374508 Ge\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.0624209983257025,
"density_atomic": 0.04196945463771011,
"volume": 95.30740950838916,
"volume_molar": 14.348865888262045,
"formula_full": "Ge4",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy_above_hull": 0.0203899999999999,
"spacegroup": 194
},
{
"id": "jvasp-117595",
"created_at": "2022-09-04T14:38:51.404255Z",
"updated_at": "2022-09-04T14:38:51.404273Z",
"structure_string": "Ba1 Pb1 F1\n1.0\n3.679704 -0.000000 -0.000000\n-0.000000 3.679704 0.000000\n-0.000000 -0.000000 8.265698\nBa Pb F\n1 1 1\ndirect\n0.000000 0.000000 0.002390 Ba\n0.000000 0.000000 0.573055 Pb\n0.000000 0.000000 0.289233 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Pb",
"F"
],
"chemical_system": "Ba-F-Pb",
"density": 5.393597810548196,
"density_atomic": 0.026805008626566703,
"volume": 111.91938200037254,
"volume_molar": 22.466475739281794,
"formula_full": "Ba1 Pb1 F1",
"formula_reduced": "BaPbF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0205194649999999,
"spacegroup": 99
},
{
"id": "jvasp-14862",
"created_at": "2022-09-04T14:35:58.661651Z",
"updated_at": "2022-09-04T14:35:58.661666Z",
"structure_string": "Ca1 Pd1\n1.0\n3.508722 -0.000000 0.000000\n-0.000000 3.508722 -0.000000\n0.000000 -0.000000 3.508722\nCa Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Pd"
],
"chemical_system": "Ca-Pd",
"density": 5.631627401245475,
"density_atomic": 0.04630022652854423,
"volume": 43.19633293299319,
"volume_molar": 13.006719861915432,
"formula_full": "Ca1 Pd1",
"formula_reduced": "CaPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.02052806,
"spacegroup": 221
},
{
"id": "jvasp-8564",
"created_at": "2022-09-04T14:36:52.628363Z",
"updated_at": "2022-09-04T14:36:52.628388Z",
"structure_string": "K1 I1\n1.0\n4.245209 0.000000 -0.000000\n0.000000 4.245209 0.000000\n-0.000000 0.000000 4.245209\nK I\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"I"
],
"chemical_system": "I-K",
"density": 3.603024402956538,
"density_atomic": 0.026141636219464977,
"volume": 76.50630523696167,
"volume_molar": 23.036586958225417,
"formula_full": "K1 I1",
"formula_reduced": "KI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0205549999999999,
"spacegroup": 221
},
{
"id": "jvasp-30594",
"created_at": "2022-09-04T14:37:29.231372Z",
"updated_at": "2022-09-04T14:37:29.231391Z",
"structure_string": "Ti2 F8\n1.0\n4.695130 0.468173 -1.438517\n-1.375636 4.882990 -2.947303\n1.128763 -1.083358 6.170954\nTi F\n2 8\ndirect\n-0.003140 0.523017 -0.008423 Ti\n0.500075 0.175515 0.005919 Ti\n0.849573 0.410321 0.216649 F\n0.647347 0.288195 0.780835 F\n0.104930 0.537740 0.747927 F\n0.149156 0.092888 0.784747 F\n0.347775 0.605637 0.212746 F\n0.391998 0.160792 0.249567 F\n0.889215 0.893272 0.241293 F\n0.607712 0.805256 0.756202 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"F"
],
"chemical_system": "F-Ti",
"density": 3.0541194820673527,
"density_atomic": 0.07424611024217335,
"volume": 134.6871905798479,
"volume_molar": 8.111052202407901,
"formula_full": "Ti2 F8",
"formula_reduced": "TiF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0205900565,
"spacegroup": 2
}
]
}